2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid Openeye Name: 2-(tert-butoxycarbonylamino)-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid Traditional Name: 2-(tert-butoxycarbonylamino)-1-keto-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid Formula: C24H26N2O8 MolecularWeight: 470.47184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NN1C(=C(C2=CC=CC=C2C1=O)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NN1C(=C(C2=CC=CC=C2C1=O)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)O

InChI

InChI=1S/C24H26N2O8/c1-24(2,3)34-23(30)25-26-19(22(28)29)18(14-9-7-8-10-15(14)21(26)27)13-11-16(31-4)20(33-6)17(12-13)32-5/h7-12H,1-6H3,(H,25,30)(H,28,29)